Structural,Electronic Properties,Hydrogen Bonding Analyses,and Biological Activity of Two Multiple Myeloma Drugs: Lenalidomide and Pomalidomide

In this article, we made a comparative study of two multiple myeloma drugs: lenalidomide and pomalidomide. We calculated and discussed their geometries at DFT/B3LYP method. Intra-molecular hydrogen bonding in these molecules is confirmed and characterized by QTAIM calculations. Electronic parameters along with HOMO-LUMO and MESP surfaces are calculated in order to compare their chemical reactivity. The effect of structure and bonding on electronic properties and biological activities is discussed and it is established that pomalidomide is more biologically active than lenalidomide. The phenyl ring of these molecules show teratogenic effects, making a possibility of finding another new class of drugs.     

Study of Compatibilized Liquid Crystalline Polymer/Cyclic Olefin Copolymer Blends

The technology to produce compatibilized blends of liquid crystalline polymer and highly amorphous cyclic olefin copolymers through two novel approaches were studied. The first approach was to use silane-functionalized halloysite nanotube as nonspecific compatibilizer and the second method was reactive compatibilization. The study of blends and their resulting microstructure; their thermal, mechanical, and viscoelastic properties were investigated. The kinetic study of blends compatibilized through both routes was performed.     

Synthesis of diethyl carbonate from ethanol through different routes: A thermodynamic and comparative analysis

In this study, thermodynamic analysis of various possible synthesis routes of diethyl carbonates (DEC), a benign organic carbonate, was carried out and a comparative analysis was performed. Chemical equilibrium constants at standard conditions were calculated using Gibbs free energy of the system. The Benson group contribution method was used to estimate standard heat of formation and standard entropy change of some raw materials/components like dimethyl carbonate. Variation of heat capacity (C_p) with temperature was estimated for different components from the Rozicka‐Domalski model. Variation of chemical equilibrium constants with temperature and pressure was studied for various routes. Synthesis of DEC from ethylene carbonate (EC) was also found to be better considering equilibrium constants at room temperature. The CO₂ route was found to be the most unfavourable route for DEC synthesis due to stability of CO₂ molecules. Moreover, DEC synthesis through the urea route was found to be best at high temperatures since the equilibrium constants were found to increase exponentially. Experiments were conducted for DEC synthesis using the EC route at two temperatures. Activity coefficients were calculated using the UNIFAC model. Experimentally and theoretically determined chemical equilibrium constant values were found to be similar. PRO/II was also used to minimize Gibbs free energy of the system and estimate the equilibrium constants and the results were comparable with those obtained by the equilibrium constant method and the trend was found to be the same for both the methods.     

Synthesis of nanocrystalline cerium oxide by high energy ball milling

We have synthesized pure nanocrystalline CeO₂ powders of nearly spherical shape using high-energy attritor ball mill. Milling parameters such as the milling speed of 400 rpm, ball to powder ratio (40:1), milling time (30 h) and water cooled media were determined to be suitable for synthesizing nanosize (～10 nm) powders of CeO₂. The powders after milling for various durations (up-to 50 h) were characterized by X-ray Diffraction, Scanning Electron Microscopy, Energy-dispersive X-ray Spectrometry and Transmission Electron Microscopy. An average particle size of 10 nm was obtained at 30 h milling, after which the particle agglomeration started, and a mixture of nanocrystalline and amorphous phase was observed after 50 h milling.     

Non-traditional machining processes by means of velocity shear instability in plasma

The material removal within different machining process can be performed in distinct modalities. One of the modality is based on the effect of impact phenomenon. In this paper theoretical model of non-traditional machining process based on impact phenomenon is discussed. The material is removed from the surface due to the impact of ions. The velocity of ions is equal to the velocity at which the electrostatic ion-cyclotron instability driven by parallel flow velocity shear generated by massive ions takes place. The main ways for the material removal as consequence of the impact phenomenon are the microcracking, microcutting, melting and vaporizing of small quantities from the work-piece surface layer.     

Thermodynamic modeling and phase equilibria calculations of the quaternary Al-Ga-In-Sb Sastem

Quasi sub-subregular solution model with additional ternary parameters, used by Sharma et al. to model the thermodynamic properties of the liquid phases in the ternary Al-Ga-Sb, Al-In-Sb, and GaIn-Sb systems, has been extended to predict the thermodynamic properties of the liquid phase in the quaternary Al-Ga-In-Sb system. The (AlGaln)Sb compound phase in the quaternary Al-Ga-In-Sb system is considered a quasi-regular solution of AlSb, GaSb, and InSb compounds. Phase equilibria in the quaternary Al-Ga-In-Sb system are then calculated and compared with the limited experimental data available in the literature. The ternary Al-Ga-In phase diagram, required for the quaternary calculations, has also been modeled and calculated.     

Study of chemiresistor type CNT doped polyaniline gas sensor

The composite thin films of polyaniline (Pani) with multiwall carbon nanotube (MWNT) and single wall carbon nanotube (SWNT) for hydrogen gas sensing application are presented in this paper. Polyaniline (Pani) was synthesized by chemical oxidative polymerization of aniline using ammonium persulfate in acidic medium. The SWNT and MWNT were doped in Pani in presence of champhor sulfonic acid (CSA) by solution mixing method. Thin films of CNT/Pani composites were prepared by spin coating method. Finally, the response of these composite films for hydrogen gas was evaluated by monitering the change in electrical resistance at room tempeature. It is observed that the SWNT/Pani and MWNT/Pani composite films show a higher response as compare to pure Pani. The structural and optical properties of these composite films have been characterised by X-ray diffraction (XRD) and UV–visible spectroscopy respectively. Surface morphology of these films has also been characterised by optical microscopy.     

Frequency dependent electrical transport properties of 4,4′,4″-tris(N-3-methylphenyl-N-phenylamine)triphenylamine by impedance spectroscopy

The frequency dependent ac conduction mechanism in 4,4′,4″-tris(N-3-methylphenyl-N-phenylamine)triphenylamine (m-MTDATA) has been studied as a function of applied bias and temperature. The Cole–Cole plot shows a slightly depressed semicircle indicating Debye type relaxation. This result has been explained by an equivalent circuit of the device designed as a two parallel resistor and capacitance network in series with contact resistance. The ac conduction studies under dc bias for hole only devices shows an increase in device conductivity with the increase in bias. The variation of bulk resistance with applied bias indicates Space Charge Limited Conduction (SCLC) mechanism for hole conduction. The hole mobility of the material has also been evaluated from SCLC as 8.859 × 10^?6 cm²/V s. The temperature dependent impedance studies show two activation energies indicating two different phase of the material with a phase transition at 235 K.     

Improvement in the properties of nickel by nano-Cr2O3 incorporation

Nano-ceramic composite coatings were prepared by the electrodeposition method using sulphamate electrolyte. Nickel was chosen as the metal matrix and nano-Cr₂O₃ particles were chosen as the reinforcement. The surface morphology and the particle distribution in the coating were analysed using field emission scanning electron microscope (FESEM). The particle content was obtained using energy dispersive X-ray analysis (EDAX). A change in the surface morphology of Ni was seen on the incorporation of Cr₂O₃ particles. The coatings were characterized for their structure and no change in the diffraction pattern was seen between plain Ni and Ni-Cr₂O₃ composite. The mechanical property like microhardness and tribological behaviour of the nano-composite coatings was studied and it was observed that the incorporation of Cr₂O₃ particles enhanced the mechanical properties of Ni matrix. The nano-composites were analysed for their thermal stability and corrosion resistance. An improvement in thermal stability was observed but no change in the corrosion behaviour of Ni was seen on the incorporation of nano chromium oxide particles.     

Effect of specimen thickness on the creep response of a Ni-based single-crystal superalloy

Creep tests on Ni-based single-crystal superalloy sheet specimens typically show greater creep strain rates and/or reduced strain or time to creep rupture for thinner specimens than predicted by current theories, which predict a size-independent creep strain rate and creep rupture strain. This size-dependent creep response is termed the thickness debit effect. To investigate the mechanism of the thickness debit effect, isothermal, constant nominal stress creep tests were performed on uncoated PWA1484 Ni-based single-crystal superalloy sheet specimens of thicknesses 3.18 and 0.51 mm under two test conditions: 760 °C/758 MPa and 982 °C/248 MPa. The specimens contained initial microvoids formed during the solidification and homogenization processes. The dependence of the creep response on specimen thickness differed under the two test conditions: at 760 °C/758 MPa there was a reduction in the creep strain and the time to rupture with decreasing section thickness, whereas at 982 °C/248 MPa a decreased thickness resulted in an increased creep rate even at low strain levels and a decreased time to rupture but with no systematic dependence of the creep strain to rupture on specimen thickness. For the specimens tested at 760 °C/758 MPa microscopic analyses revealed that the thick specimens exhibited a mixed failure mode of void growth and cleavage-like fracture while the predominant failure mode for the thin specimens was cleavage-like fracture. The creep specimens tested at 982 °C/248 MPa in air showed the development of surface oxides and a near-surface precipitate-free zone. Finite-element analysis revealed that the presence of the alumina layer at the free surface imposes a constraint that locally increases the stress triaxiality and changes the value of the Lode parameter (a measure of the third stress invariant). The surface cracks formed in the oxide scale were arrested by further oxidation; for a thickness of 3.18 mm the failure mode was void nucleation, growth and coalescence, whereas for a thickness of 0.51 mm there was a mixed mode of ductile and cleavage-like fracture.